SCHEMBL6520675

SCHEMBL6520675

CCCCc1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(CC(=O)O)cc3C(F)(F)F)cc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.68
THRB P10828 7/20 0.68
KDM4E B2RXH2 1/20 0.48
HTR1A P08908 7/20 0.45
HTR1B P28222 7/20 0.45
HTR1D P28221 6/20 0.45
MTNR1A P48039 2/20 0.44
TRPV1 Q8NER1 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6514293 0.97 THRA (0.67) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6859305 0.96 THRA (0.66) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6519324 0.94 THRA (0.61) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6860169 0.94 THRA (0.71) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6513911 0.94 THRB (0.61) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6515810 0.94 THRB (0.61) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6518876 0.92 THRA (0.61) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6514328 0.91 THRB (0.60) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6512437 0.91 THRA (0.60) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6519477 0.91 THRB (0.60) THRATHRBKDM4EHTR1AHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 THRA 2460/4885THRB 1772/4885KDM4E 1199/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885KDM4E 2994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.